UCSF

ZINC33892067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 10.62 -57.28 0 8 -1 103 449.483 6
Lo Low (pH 4.5-6) 2.42 9.59 -15.09 1 8 0 100 450.491 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )